1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

C8H12N6S — CID 104602839

IUPAC1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
SMILESCc1nn(C)c(Sc2ncnn2C)c1N
InChIInChI=1S/C8H12N6S/c1-5-6(9)7(13(2)12-5)15-8-10-4-11-14(8)3/h4H,9H2,1-3H3
InChIKeyXMNSOLUXQPYWKE-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.59
Rot. Bonds2

About 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine (PubChem CID 104602839) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
PubChem CID104602839
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
SMILESCc1nn(C)c(Sc2ncnn2C)c1N
InChIInChI=1S/C8H12N6S/c1-5-6(9)7(13(2)12-5)15-8-10-4-11-14(8)3/h4H,9H2,1-3H3
InChIKeyXMNSOLUXQPYWKE-UHFFFAOYSA-N
XLogP0.59
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
CID 104604318
[3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpyrazol-4-yl]methanamine
CID 104604361
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 43554535
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-(3-bromophenyl)sulfanyl-1,3-dimethylpyrazol-4-amine
CID 62804408
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
CID 115382767
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
ethane;2-methyl-1,2,4-triazol-3-amine
CID 167473762
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine (CID 104602839) is 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine is Cc1nn(C)c(Sc2ncnn2C)c1N.
What is the InChIKey of 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The InChIKey is XMNSOLUXQPYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-5-6(9)7(13(2)12-5)15-8-10-4-11-14(8)3/h4H,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine has a molecular weight of 224.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine is sourced from PubChem (CID 104602839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).